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		<title><![CDATA[Multiwfn forum / **** Warning!!: The largest alpha MO coefficient is  0.10035696D+02]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=1662</link>
		<description><![CDATA[The most recent posts in **** Warning!!: The largest alpha MO coefficient is  0.10035696D+02.]]></description>
		<lastBuildDate>Mon, 19 May 2025 22:33:07 +0000</lastBuildDate>
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			<title><![CDATA[Re: **** Warning!!: The largest alpha MO coefficient is  0.10035696D+02]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5090#p5090</link>
			<description><![CDATA[<div class="quotebox"><cite>Driss wrote:</cite><blockquote><div><p>Dear Tian,</p><p>But I need the frequency values and the thermodynamic quantities G and H, although they are not displayed in the output.</p></div></blockquote></div><p>They are irrelevant to the warning.</p><p>Without full output file, I cannot answer the actual reason.</p><p>By the way, using Shermo to calculate thermodynamic quantities based on Gaussian output file of &quot;freq&quot; task is more recommended, see <a href="http://sobereva.com/soft/shermo" rel="nofollow">http://sobereva.com/soft/shermo</a></p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Mon, 19 May 2025 22:33:07 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5090#p5090</guid>
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			<title><![CDATA[Re: **** Warning!!: The largest alpha MO coefficient is  0.10035696D+02]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5089#p5089</link>
			<description><![CDATA[<p>Dear Tian,</p><p>But I need the frequency values and the thermodynamic quantities G and H, although they are not displayed in the output.</p>]]></description>
			<author><![CDATA[dummy@example.com (Driss)]]></author>
			<pubDate>Mon, 19 May 2025 18:31:01 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5089#p5089</guid>
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			<title><![CDATA[Re: **** Warning!!: The largest alpha MO coefficient is  0.10035696D+02]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5088#p5088</link>
			<description><![CDATA[<p>You don&#039;t need to worry about that, it is commonly not harmful.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Mon, 19 May 2025 15:16:56 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5088#p5088</guid>
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			<title><![CDATA[**** Warning!!: The largest alpha MO coefficient is  0.10035696D+02]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5087#p5087</link>
			<description><![CDATA[<p>Dear Tian,</p><p>I would like to perform a frequency calculation for a molecule that has already been optimized, using Gaussian.<br />The keywords I used are:<br />#p freq mpw1pw91/6-31g(d) scrf=(iefpcm, solvent=dichloromethane)</p><p>However, the calculation gives me this error.<br />What should I do?</p><p>Thank you in advance</p><p><a href="https://postimg.cc/k286mtXC" rel="nofollow"><span class="postimg"><img src="https://i.postimg.cc/k286mtXC/error.png" alt="error.png" /></span></a></p>]]></description>
			<author><![CDATA[dummy@example.com (Driss)]]></author>
			<pubDate>Mon, 19 May 2025 08:37:24 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5087#p5087</guid>
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